CID 140704

9,9'-biphenanthrene

Structural Information

Molecular Formula
C28H18
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C28H18/c1-3-11-21-19(9-1)17-27(25-15-7-5-13-23(21)25)28-18-20-10-2-4-12-22(20)24-14-6-8-16-26(24)28/h1-18H
InChIKey
UPAPZXUZBAAZCB-UHFFFAOYSA-N
Compound name
9-phenanthren-9-ylphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

354.14084 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14812 186.0
[M+Na]+ 377.13006 196.6
[M-H]- 353.13356 196.1
[M+NH4]+ 372.17466 201.8
[M+K]+ 393.10400 186.9
[M+H-H2O]+ 337.13810 174.3
[M+HCOO]- 399.13904 205.9
[M+CH3COO]- 413.15469 196.8
[M+Na-2H]- 375.11551 196.1
[M]+ 354.14029 187.4
[M]- 354.14139 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe